2-Methoxy-3-nitrophenol

CAT: 0127-OR85277-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR85277-01Size:250 mg

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CAS Number

20734-71-8

Purity

97%

Smiles

OC1=CC=CC([N+]([O-])=O)=C1OC

Chemical Information

2-Methoxy-3-nitrophenol

CAS Number	20734-71-8
PubChem CID	13681359
IUPAC Name	2-methoxy-3-nitrophenol
Molecular Formula	C7H7NO4
Molecular Weight	169.13
XLogP	1.4
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

COC1=C(C=CC=C1O)[N+](=O)[O-]

InChI

InChI=1S/C7H7NO4/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4,9H,1H3

InChIKey

JBDBITFUVSELQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20734-71-8

CID: 13681359

Formula: C7H7NO4

MW: 169.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.13
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	169.03750770
Monoisotopic Mass	169.03750770
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM39650-01	2-Methoxy-5-nitrophenol
281788-01	5-Methoxy-2-nitrophenol
AR-P31118-01	2-Methoxy-4-Nitrophenol
BAA56870	4-Methoxy-2-nitrophenol
TRC-M265888-100MG	4-Methoxy-3-nitrophenol
JH919906	2-BroMo-6-Methoxy-3-nitrophenol
sc-261264	4- (2-Methoxy-2-oxoethyl) -2-nitrophenol
sc-225205	2-Bromo-4-methoxy-6-nitrophenol
KKA41700-01	4- (Hydroxymethyl) -2-methoxy-5-nitrophenol
JFC70167-01	2-Amino-4-methoxy-5-nitrophenol